ethanethiol; (E)-octadec-9-enoate

Systemtic Name: ethanethiol; (E)-octadec-9-enoate Openeye Name: ethanethiol; (E)-octadec-9-enoate CAS Name: ethanethiol; (E)-9-octadecenoate IUPAC Name: ethanethiol; (E)-octadec-9-enoate Traditional Name: ethanethiol; (E)-octadec-9-enoate Formula: C20H39O2S- MolecularWeight: 343.58746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCS

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCS

InChI

InChI=1S/C18H34O2.C2H6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,2H2,1H3/p-1/b10-9+;